Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.61 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.57 |
| ▸ | RAD52 | P43351 | 5/20 | 0.50 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | POLR1A | O95602 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7568845 | 0.84 | HDAC1 (0.67) | HDAC1HDAC6AOX1RAD52UHRF1 | |
| SCHEMBL29369424 | 0.84 | AOX1 (0.78) | HDAC1HDAC6AOX1RAD52UHRF1 | |
| SCHEMBL105276 | 0.84 | AOX1 (0.78) | HDAC1HDAC6AOX1RAD52UHRF1 | |
| SCHEMBL7573624 | 0.83 | HDAC1 (0.65) | HDAC1HDAC6AOX1RAD52UHRF1 | |
| Hydrochloric Acid SCHEMBL4888175 | 0.82 | AOX1 (0.77) | HDAC1HDAC6AOX1RAD52UHRF1 | |
| Hydrochloric Acid SCHEMBL29608361 | 0.82 | AOX1 (0.77) | HDAC1HDAC6AOX1RAD52UHRF1 | |
| SCHEMBL7567057 | 0.82 | HDAC1 (0.71) | HDAC1HDAC6AOX1RAD52UHRF1 | |
| SCHEMBL2447168 | 0.81 | KDM4E (0.69) | HDAC1HDAC6AOX1RAD52UHRF1 | |
| Hydrochloric Acid SCHEMBL5953779 | 0.81 | AOX1 (0.75) | HDAC1HDAC6AOX1RAD52UHRF1 | |
| SCHEMBL7566347 | 0.81 | HDAC1 (0.67) | HDAC1HDAC6AOX1RAD52UHRF1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1987024-A1 | THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | Istituto di Ricerche di Biologia Molecolare P. Angeletti (IT) | 2008-11-05 | — | — | EP | disclosed |
| EP-1976511-A2 | FLUORINATED ARYLAMIDE DERIVATIVES | Merck & Co., Inc. (US) | 2008-10-08 | — | — | EP | disclosed |
| EP-1951252-A2 | TYROSINE KINASE INHIBITORS | Merck & Co., Inc. (US) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007084135-A9 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO INC (US) | 2007-10-11 | — | — | WO | disclosed |
| WO-2007093827-A1 | THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-08-23 | — | — | WO | disclosed |
| WO-2007087129-A2 | FLUORINATED ARYLAMIDE DERIVATIVES | MERCK & CO., INC. (US) | 2007-08-02 | — | — | WO | disclosed |
| WO-2007050383-A2 | TYROSINE KINASE INHIBITORS | MERCK & CO., INC. (US) | 2007-05-03 | — | — | WO | disclosed |